Semiempirical Double-Hybrid Density Functional with Improved Description of Long-Range Correlation-Reference-Cited by-同舟云学术

Semiempirical Double-Hybrid Density Functional with Improved Description of Long-Range Correlation

Published:2008-03-01 Issue:12 Volume:112 Page:2702-2712
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Benighaus Tobias¹,DiStasio Robert A.¹,Lochan Rohini C.¹,Chai Jeng-Da¹,Head-Gordon Martin¹

Affiliation:

1. Department of Chemistry, University of California, and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp710439w

Reference76 articles.

1. Self-Consistent Equations Including Exchange and Correlation Effects

2. Prescription for the design and selection of density functional approximations: More constraint satisfaction with fewer fits

3. Development of density functionals for thermochemical kinetics

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